(3-fluorophenyl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone

C20H29FN2O — CID 3233984

IUPAC(3-fluorophenyl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCC(C)CN1CCCC2(CCN(C(=O)c3cccc(F)c3)CC2)C1
InChIInChI=1S/C20H29FN2O/c1-16(2)14-22-10-4-7-20(15-22)8-11-23(12-9-20)19(24)17-5-3-6-18(21)13-17/h3,5-6,13,16H,4,7-12,14-15H2,1-2H3
InChIKeyKYWCOMZREAYUHJ-UHFFFAOYSA-N
MW332.46 g/mol
LogP3.80
Rot. Bonds3

About (3-fluorophenyl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone

(3-fluorophenyl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 3233984) has the molecular formula C20H29FN2O and a molecular weight of 332.46 g/mol. Its IUPAC name is (3-fluorophenyl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID3233984
Molecular FormulaC20H29FN2O
Molecular Weight332.46 g/mol
Exact Mass332.23
IUPAC Name(3-fluorophenyl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCC(C)CN1CCCC2(CCN(C(=O)c3cccc(F)c3)CC2)C1
InChIInChI=1S/C20H29FN2O/c1-16(2)14-22-10-4-7-20(15-22)8-11-23(12-9-20)19(24)17-5-3-6-18(21)13-17/h3,5-6,13,16H,4,7-12,14-15H2,1-2H3
InChIKeyKYWCOMZREAYUHJ-UHFFFAOYSA-N
XLogP3.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-fluorophenyl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234584
8-(3-fluorobenzoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449711
2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide
CID 97393813
(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103726936
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 78850554
(3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 97385423
2,8-diazaspiro[5.5]undecan-2-yl-(3-fluorophenyl)methanone;hydrochloride
CID 155841850
(2S)-2-amino-1-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-4-methylpentan-1-one
CID 119710608
(3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97396880
4-[5-(2-methylpropyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
CID 110068842

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 3233984) is (3-fluorophenyl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is CC(C)CN1CCCC2(CCN(C(=O)c3cccc(F)c3)CC2)C1.
What is the InChIKey of (3-fluorophenyl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is KYWCOMZREAYUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O/c1-16(2)14-22-10-4-7-20(15-22)8-11-23(12-9-20)19(24)17-5-3-6-18(21)13-17/h3,5-6,13,16H,4,7-12,14-15H2,1-2H3.
What are the key properties of (3-fluorophenyl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
(3-fluorophenyl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 332.46 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 3233984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).